methyl {[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5243 |
| Compound Name: | methyl {[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 307.37 |
| Molecular Formula: | C14 H17 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nnc(n1C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2039 |
| logD: | 2.2038 |
| logSw: | -2.4017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.025 |
| InChI Key: | HZSMCMZULXEGGM-UHFFFAOYSA-N |